Crystal structure of μ6-chlorido-nonakis(μ-4-chloropyrazolato)bis-μ3-methoxo-hexacopper(II)

Abstract

The hexanuclear title compound, [{Cu3(μ3-OCH3)(μ-C3H2ClN2)3}2(μ-C3H2ClN2)3(μ6-Cl)] or [Cu6(C3H2ClN2)9(CH3O)2Cl], crystallizes in the space group Pbcn, with individual molecules being located on a twofold rotation axis. The molecule adopts a trigonal prismatic shape, with two trinuclear units linked by three 4-chloropyrazolate ligand bridges by encapsulating a Cl− anion in a μ6-coordination mode. In the crystal, individual molecules are stacked into rods parallel to [1-10] that are arranged in a pseudo-hexagonal packing. Cohesion between molecules is accomplished through weak C—H...Cl interactions.

Keywords

• crystal structure
• trigonal prismatic hexanuclear copper pyrazolate
• μ6-Cl coordination
• chloride encapsulation